3GTU

ligand-free heterodimeric human glutathione s-transferase m2-3 (ec 2.5.1.18), monoclinic crystal form

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 120
  • Norm. En. per Res.: -4.7165
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-36.2398	-197.1154	-332.625	-565.9802	120	10	13	13300	6	60	49
A-C	-7.8678	-27.6408	-35.9042	-71.4128	37	1	0	1811	4	15	18
C-D	-29.1578	-193.0946	-324.277	-546.5294	119	12	13	13115	6	61	49

Interface residues

• A-B: ALA74A, ALA78B, ARG116B, ARG77A, ARG81A, ARG81B, ARG85B, ARG95A, ARG99B, ASN101A, ASN105B, ASN58A, ASN62B, ASN71B, ASN73A, ASN77B, ASP101B, ASP105A, ASP109B, ASP55A, ASP59B, ASP64A, ASP68B, ASP97A, CYS86A, GLN102A, GLN106B, GLN137B, GLN139A, GLN140B, GLN71A, GLN75B, GLN93A, GLU100A, GLU104B, GLU132A, GLU88A, GLU90A, GLU92A, GLU94B, GLU95B, GLU96A, GLU96B, GLY136B, GLY53A, GLY87A, GLY91B, HIS67A, ILE102B, ILE103B, ILE69A, ILE73B, ILE75A, ILE79A, ILE79B, ILE83B, ILE94A, ILE98A, ILE98B, LEU134A, LEU136A, LEU138B, LEU141A, LEU145B, LEU54A, LEU58B, LEU62A, LEU66B, LEU76A, LEU80B, LEU99A, LYS112A, LYS135A, LYS139B, LYS49A, LYS53B, LYS68A, LYS70B, LYS72B, LYS82A, LYS86B, LYS91A, LYS97B, MET104A, MET108A, MET108B, MET133A, MET143B, PHE103A, PHE110B, PHE140A, PHE141B, PHE144B, PHE147A, PHE151B, PHE154A, PHE158B, PHE50A, PHE54B, PHE56A, PHE60B, PRO57A, PRO61B, SER106A, SER138A, SER142B, SER72A, SER76B, SER89A, THR112B, THR163B, THR66A, THR70A, THR74B, THR93B, TYR137A, TYR78A, TYR82B, VAL100B, VAL107B
• A-C: ARG186A, ARG205C, ASN179A, ASP150A, ASP175C, ASP182A, CYS173C, GLN128C, GLN144A, GLN167C, GLU120C, GLU170C, GLY142A, GLY149A, GLY189A, ILE152A, LEU127C, LEU141A, LEU190A, LYS123C, LYS143A, LYS151A, LYS181A, LYS181C, PHE119C, PHE169C, PHE183A, PHE187A, PRO124C, PRO145A, PRO171C, PRO178A, SER172C, SER185A, TRP146A, TRP214C, VAL168C
• C-D: ALA74C, ALA78D, ARG116D, ARG77C, ARG81C, ARG81D, ARG85D, ARG95C, ARG99D, ASN101C, ASN105D, ASN58C, ASN62D, ASN71D, ASN73C, ASN77D, ASP101D, ASP105C, ASP109D, ASP55C, ASP59D, ASP64C, ASP68D, ASP97C, CYS90D, GLN102C, GLN106D, GLN137D, GLN139C, GLN140D, GLN71C, GLN75D, GLN93C, GLU100C, GLU104D, GLU132C, GLU88C, GLU90C, GLU92C, GLU94D, GLU95D, GLU96C, GLU96D, GLY136D, GLY53C, GLY87C, GLY91D, HIS67C, ILE102D, ILE103D, ILE69C, ILE73D, ILE75C, ILE79C, ILE79D, ILE94C, ILE98C, ILE98D, LEU134C, LEU136C, LEU138D, LEU141C, LEU145D, LEU54C, LEU58D, LEU62C, LEU66D, LEU76C, LEU80D, LEU99C, LYS112C, LYS135C, LYS139D, LYS49C, LYS53D, LYS68C, LYS70D, LYS72D, LYS82C, LYS86D, LYS91C, LYS97D, MET104C, MET108C, MET108D, MET133C, MET143D, PHE103C, PHE110D, PHE140C, PHE141D, PHE144D, PHE147C, PHE151D, PHE154C, PHE158D, PHE50C, PHE54D, PHE56C, PHE60D, PRO57C, PRO61D, SER106C, SER138C, SER142D, SER72C, SER76D, SER89C, THR112D, THR163D, THR66C, THR70C, THR74D, THR93D, TYR137C, TYR78C, TYR82D, VAL100D, VAL107D